Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Bicarbonate. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.47 |
| ▸ | KDM5A | P29375 | 2/20 | 0.46 |
| ▸ | PHF8 | Q9UPP1 | 2/20 | 0.46 |
| ▸ | KDM2A | Q9Y2K7 | 2/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | KDM4A | O75164 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL9562968 | 0.98 | CYP1A2 (0.65) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Bicarbonate SCHEMBL4782415 | 0.98 | CYP1A2 (0.65) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Bicarbonate SCHEMBL11126117 | 0.96 | CYP1A2 (0.63) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Bicarbonate SCHEMBL10348160 | 0.94 | CYP1A2 (0.61) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Propionic Acid SCHEMBL3879824 | 0.94 | CYP1A2 (0.65) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Butylcyclohexane SCHEMBL28895865 | 0.94 | CYP1A2 (0.78) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| SCHEMBL7518224 | 0.92 | CYP1A2 (0.63) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| SCHEMBL9805360 | 0.90 | CYP1A2 (0.61) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| SCHEMBL9153522 | 0.90 | CYP1A2 (0.61) | CYP1A2SIGMAR1KDM5APHF8KDM2A | |
| Urea SCHEMBL1840735 | 0.90 | CYP1A2 (0.65) | CYP1A2SIGMAR1PKMEPHX1NAAA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 85 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3191088-B1 | AN ANTICONVULSANT COMPOUND | ROYAL HOLLOWAY & BEDFORD NEW COLLEGE (GB) | 2020-12-16 | — | — | EP | claimed |
| EP-1589031-B1 | Production of polyketides and other natural products | BIOTICA TECH LTD (GB) | 2007-08-15 | — | — | EP | claimed |
| EP-2766450-B1 | SUBSTITUTED AMINO ALCOHOLS AS CHIRAL DOPANTS | FRAUNHOFER GES FORSCHUNG (DE) | 2018-12-12 | — | — | EP | disclosed |
| EP-2766450-A1 | SUBSTITUTED AMINO ALCOHOLS AS CHIRAL DOPANTS | FRAUNHOFER-GESELLSCHAFT zur Förderung der angewandten Forschung e.V. (DE) | 2014-08-20 | — | — | EP | disclosed |
| WO-2013053752-A1 | SUBSTITUTED AMINO ALCOHOLS AS CHIRAL DOPANTS | Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) | 2013-04-18 | — | — | WO | disclosed |
| EP-1259503-B1 | PRODUCING LIQUID CRYSTALS WITH CF2O BOND | MERCK PATENT GMBH (DE) | 2007-09-12 | — | — | EP | disclosed |
| EP-1028944-B1 | FLUORINATED NAPHTHALENE DERIVATIVES AND THEIR USE IN LIQUID CRYSTAL MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2006-01-11 | — | — | EP | disclosed |
| EP-0639189-B1 | PYRIDYLPYRIMIDINES, A METHOD OF PREPARING THEM, AND THEIR USE IN LIQUID-CRYSTAL MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2003-02-19 | — | — | EP | disclosed |
| EP-1259503-A1 | PRODUCING LIQUID CRYSTALS WITH CF2O BOND | MERCK PATENT GmbH (DE) | 2002-11-27 | — | — | EP | disclosed |
| EP-0946473-B1 | FLUORINATED PHENANTRENE DERIVATIVES FOR LIQUID CRYSTAL MIXTURES | AVENTIS RES & TECHNOLOGY GMBH (DE) | 2002-07-31 | — | — | EP | disclosed |
| EP-0944565-B1 | 1,3,5-TRIFLUORONAPHTHALENE DERIVATIVES FOR LIQUID CRYSTALLINE MIXTURES | AVENTIS RES & TECH GMBH & CO (DE) | 2002-07-31 | — | — | EP | disclosed |
| WO-1988002364-A2 | PROCESS FOR THE PRODUCTION OF ETHANE DERIVATIVES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-04-07 | — | — | WO | disclosed |
| EP-0247466-A2 | Liquid-crystal derivatives of phenyl benzoate | F. HOFFMANN-LA ROCHE AG (CH) | 1987-12-02 | — | — | EP | disclosed |
| EP-0155317-A1 | LIQUID CRYSTAL MIXTURES AND NEW ANISOTROPIC COMPOUNDS THEREFOR. | MERCK PATENT GMBH (DE) | 1985-09-25 | — | — | EP | disclosed |
| EP-0154849-A2 | Cyclohexane derivatives | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |
| WO-1985001295-A1 | LIQUID CRYSTAL MIXTURES AND NEW ANISOTROPIC COMPOUNDS THEREFOR | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1985-03-28 | — | — | WO | disclosed |
| EP-0122389-A2 | Liquid crystal components having an alkenyl chain | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1984-10-24 | — | — | EP | disclosed |
| EP-0014885-B1 | CYCLOHEXYLPYRIMIDINES, THEIR PREPARATION AND USE, AS WELL AS LIQUID CRYSTALS MIXTURES AND ELECTRO-OPTICAL APPARATUSES CONTAINING THESE COMPOUNDS AND THEIR PREPARATION | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-06-15 | — | — | EP | disclosed |
| EP-0023730-B1 | CYCLOHEXYLCYCLOHEXANOATES, PROCESS FOR THEIR PREPARATION AND LIQUID-CRYSTAL MIXTURE CONTAINING THEM | MERCK PATENT GmbH (DE) | 1982-11-03 | — | — | EP | disclosed |
| EP-0023730-A1 | Cyclohexylcyclohexanoates, process for their preparation and liquid-crystal mixture containing them | MERCK PATENT GmbH (DE) | 1981-02-11 | — | — | EP | disclosed |